Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
- Formula: C11H10
- Molecular weight: 142.1971
- IUPAC Standard InChI: InChI=1S/C11H10/c1-2-6-11-8-4-3-7-10(5-1)9-11/h1-8H,9H2
- IUPAC Standard InChIKey: OORRQYZWSVJKSO-UHFFFAOYSA-N
- CAS Registry Number: 2443-46-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 1,6-Methano[10]annulene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Condensed phase thermochemistry data
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | 254. ± 2. | kJ/mol | Ccb | Bremser, Hagen, et al., 1969 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -6011.99 | kJ/mol | Ccb | Bremser, Hagen, et al., 1969 | Corresponding ΔfHºliquid = 254.2 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C11H10+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.7 | PE | Andrea, Cerfontain, et al., 1984 | LBLHLM |
| 7.92 | PE | Andrea, Cerfontain, et al., 1984 | Vertical value; LBLHLM |
| 7.90 | PE | Boschi, Schmidt, et al., 1972 | Vertical value; LLK |
References
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bremser, Hagen, et al., 1969
Bremser, W.; Hagen, R.; Heilbronner, E.; Vogel, E.,
48. Die Bildungsenthalpie 1,6-uberbruckter [10]Annulene,
Helv. Chim. Acta, 1969, 52, 418-431. [all data]
Andrea, Cerfontain, et al., 1984
Andrea, R.R.; Cerfontain, H.; Lamberchts, H.J.A.; Louwen, J.N.; Oskam, A.,
He I and He II photoelectron spectra and CNDO/S and MNDO MO calculations of some bridged [10] annulenes,
J. Am. Chem. Soc., 1984, 106, 2531. [all data]
Boschi, Schmidt, et al., 1972
Boschi, R.; Schmidt, W.; Gfeller, J.-C.,
The electronic structure of 1,6-methano-cyclodecapentaene,
Tetrahedron Lett., 1972, 40, 4107. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.